benzonitrile
    13
   1.7560000  -1.1000000   4.1040000   1.8850000  -1.0360000  -0.1120000
   0.8070000  -0.4630000   0.5610000   2.9210000  -1.6310000   0.6080000
   0.7640000  -0.4840000   1.9550000   2.8780000  -1.6520000   2.0020000
   1.8000000  -1.0790000   2.6760000   1.7210000  -1.1180000   5.2640000
   1.9190000  -1.0200000  -1.1980000   0.0010000   0.0010000   0.0000000
   3.7610000  -2.0770000   0.0830000  -0.0830000  -0.0320000   2.4660000
   3.6940000  -2.1190000   2.5500000